2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-(4-tetralin-6-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4-methyl-1-piperidin-1-iumyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-methylpiperidin-1-ium-1-yl)-1-(4-tetralin-6-ylsulfonylpiperazino)ethanone Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C22H33N3O3S/c1-18-8-10-23(11-9-18)17-22(26)24-12-14-25(15-13-24)29(27,28)21-7-6-19-4-2-3-5-20(19)16-21/h6-7,16,18H,2-5,8-15,17H2,1H3/p+1